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Chloro Chlorthalidone

CAT: 0572-TRC-C427520-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C427520-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16289-13-7
Synonyms
1H-Isoindol-1-one, 3-(3,4-dichlorophenyl)-2,3-dihydro-3-hydroxy-; Phthalimidine, 3-(3,4-dichlorophenyl)-3-hydroxy- (7CI,8CI); (3RS)-3-(3,4-Dichlorophenyl)-3-hydroxy-2,3-dihydro-1H-isoindol-1-one; 3-(3,4-Dichlorophenyl)-3-hydroxy-isoindolin-1-one
Hazard Statement
May be harmful if swallowed.
Purity
>95% (HPLC)
Smiles
OC1(NC(=O)c2ccccc12)c3ccc(Cl)c(Cl)c3
Molecular Formula
C14 H9 Cl2 N O2
Molecular Weight
294.13
InChI
InChI=1S/C14H9Cl2NO2/c15-11-6-5-8(7-12(11)16)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)
Additionnal Information
IUPAC name: 3-(3,4-dichlorophenyl)-3-hydroxy-2H-isoindol-1-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-(3,4-Dichlorophenyl)-3-hydroxyphthalimidine
CAS Number16289-13-7
PubChem CID46781014
IUPAC Name3-(3,4-dichlorophenyl)-3-hydroxy-2H-isoindol-1-one
Molecular FormulaC14H9Cl2NO2
Molecular Weight294.1
XLogP3
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity378
SMILES
C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C14H9Cl2NO2/c15-11-6-5-8(7-12(11)16)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)
InChIKey
SXUJTBDUNKPITB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3,4-Dichlorophenyl)-3-hydroxyphthalimidine
CAS: 16289-13-7
CID: 46781014
Formula: C14H9Cl2NO2
MW: 294.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.1
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass293.0010339
Monoisotopic Mass293.0010339
Topological Polar Surface Area49.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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